SCHEMBL6403469

SCHEMBL6403469

N#Cc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
PRKCA P17252 1/20 0.50
GRK2 P25098 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NOTUM Q6P988 2/20 0.47
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR3 Q99500 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
JAK2 O60674 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CHRM3 P20309 1/20 0.44
EPHX2 P34913 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6402525 0.89 POLB (0.50) ALDH1A1POLBMAPTLMNARXFP1
SCHEMBL6403827 0.84 POLB (0.65) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6403008 0.84 ALDH1A1 (0.54) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6403149 0.84 NPC1 (0.57) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6405133 0.82 P2RY14 (0.55) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6407394 0.82 LMNA (0.56) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6405896 0.81 SMN1; SMN2 (0.69) ALDH1A1POLBMAPTLMNARXFP1
SCHEMBL6404893 0.81 ROCK2 (0.56) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6408045 0.81 MAPT (0.52) ROCK2PRKCAGRK2ALDH1A1POLB
SCHEMBL6404124 0.80 POLB (0.69) ROCK2PRKCAGRK2ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 ROCK2 4171/4885PRKCA 4710/4885GRK2 130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.